9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane

C14H23ClO2 — CID 79923916

IUPAC9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
SMILESCC1C(Cl)CCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23ClO2/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-13H,2-9H2,1H3
InChIKeyCQPZHJREOODIMS-UHFFFAOYSA-N
MW258.79 g/mol
LogP3.23
Rot. Bonds1

About 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane

9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane (PubChem CID 79923916) has the molecular formula C14H23ClO2 and a molecular weight of 258.79 g/mol. Its IUPAC name is 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
PubChem CID79923916
Molecular FormulaC14H23ClO2
Molecular Weight258.79 g/mol
Exact Mass258.14
IUPAC Name9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
SMILESCC1C(Cl)CCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23ClO2/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-13H,2-9H2,1H3
InChIKeyCQPZHJREOODIMS-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane (CID 79923916) is 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane is CC1C(Cl)CCC1C1CCOC2(CCOC2)C1.
What is the InChIKey of 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane?
The InChIKey is CQPZHJREOODIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-13H,2-9H2,1H3.
What are the key properties of 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane?
9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane has a molecular weight of 258.79 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 79923916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).